(1-Isocyano-3-methylbutan-2-yl)benzene
TL;DR: (1-Isocyano-3-methylbutan-2-yl)benzene (CAS 602262-87-3) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-isocyano-3-methylbutan-2-yl)benzene
Also Known As: (1-isocyano-3-methylbutan-2-yl)benzene, (1-isocyano-3-methyl-butan-2-yl)benzene, [1-(Isocyanomethyl)-2-methylpropyl]benzene
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 3.34549 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 281.74283 |
Chemical Identifiers
| CAS Number | 602262-87-3 |
|---|---|
| SMILES | CC(C)C(C[N+]#[C-])C1=CC=CC=C1 |
Product Overview
(1-Isocyano-3-methylbutan-2-yl)benzene (CAS 602262-87-3), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: (1-isocyano-3-methylbutan-2-yl)benzene.
Chemical Property Profile of (1-Isocyano-3-methylbutan-2-yl)benzene
Property Insights of (1-Isocyano-3-methylbutan-2-yl)benzene
The XLogP value of 3.34549 indicates that (1-Isocyano-3-methylbutan-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, (1-Isocyano-3-methylbutan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Isocyano-3-methylbutan-2-yl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-Isocyano-3-methylbutan-2-yl)benzene?
The CAS number of (1-Isocyano-3-methylbutan-2-yl)benzene is 602262-87-3.
What is the molecular formula of (1-Isocyano-3-methylbutan-2-yl)benzene?
The molecular formula of (1-Isocyano-3-methylbutan-2-yl)benzene is C12H15N.
What is the molecular weight of (1-Isocyano-3-methylbutan-2-yl)benzene?
The molecular weight of (1-Isocyano-3-methylbutan-2-yl)benzene is 173.12 g/mol.
Where can I buy (1-Isocyano-3-methylbutan-2-yl)benzene?
You can request a quote for (1-Isocyano-3-methylbutan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Isocyano-3-methylbutan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Isocyano-3-methylbutan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.